5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one

C17H16N2O3S — CID 137083057

IUPAC5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2S/C(=N/c3ccccc3)NC2=O)c1
InChIInChI=1S/C17H16N2O3S/c1-21-12-8-9-14(22-2)13(10-12)15-16(20)19-17(23-15)18-11-6-4-3-5-7-11/h3-10,15H,1-2H3,(H,18,19,20)
InChIKeyJBNAUDWQTXWKHY-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.30
Rot. Bonds4

About 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one

5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 137083057) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID137083057
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2S/C(=N/c3ccccc3)NC2=O)c1
InChIInChI=1S/C17H16N2O3S/c1-21-12-8-9-14(22-2)13(10-12)15-16(20)19-17(23-15)18-11-6-4-3-5-7-11/h3-10,15H,1-2H3,(H,18,19,20)
InChIKeyJBNAUDWQTXWKHY-UHFFFAOYSA-N
XLogP3.30
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one
CID 139058923
2-[(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 171128696
(5R)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135906037
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691504
2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135464066
2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292283
(11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 1128092
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501918
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one
CID 71372820
2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244693
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 137083057) is 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(OC)c(C2S/C(=N/c3ccccc3)NC2=O)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is JBNAUDWQTXWKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-12-8-9-14(22-2)13(10-12)15-16(20)19-17(23-15)18-11-6-4-3-5-7-11/h3-10,15H,1-2H3,(H,18,19,20).
What are the key properties of 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one?
5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 328.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137083057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).